SCHEMBL21497776

SCHEMBL21497776

CCCNC(=O)COc1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
HPGD P15428 2/20 0.55
ABCB1 P08183 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
HTT P42858 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
GBA1 P04062 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
PLA2G1B P04054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21497779 0.79 PTGDR2 (0.72) LMNAPOLBPTGDR2MAPK1L3MBTL1
SCHEMBL9213633 0.76 ADRB2 (0.48) KDM4EALDH1A1PTGDR2MAPK1RAB9A
SCHEMBL9206767 0.74 KDM4E (0.49) KDM4EHPGDHTTALDH1A1HSD17B10
SCHEMBL5310309 0.73 KDM4E (0.51) KDM4EHPGDHTTALDH1A1LMNA
SCHEMBL1046904 0.73 KDM4E (0.51) KDM4EHPGDHTTALDH1A1LMNA
SCHEMBL28337685 0.73 KDM4E (0.51) KDM4EHPGDHTTALDH1A1LMNA
SCHEMBL8410488 0.73 LMNA (0.60) KDM4EHTTALDH1A1LMNAMAPT
SCHEMBL8670844 0.72 MMP3 (0.69) KDM4EALDH1A1PTGDR2
SCHEMBL10475269 0.72 RECQL (0.71) KDM4EHPGDHTTALDH1A1USP2
SCHEMBL15332808 0.70 PTGDR2 (0.59) HPGDHTTALDH1A1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450303-B2 Biaryl piperidine amide compounds and methods of use thereof ATHENEX, INC. (US) 2019-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10450303-B2 Biaryl piperidine amide compounds and methods of use thereof AADAC, PAICS, UGT2B7 KDM4E 2535/4885HPGD 939/4885ABCB1 89/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.